dimethyl 3-methyl-5-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H17N3O6S3 MolecularWeight: 443.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C16H17N3O6S3/c1-8-11(14(20)24-2)13(27-12(8)15(21)25-3)19-16(26)18-9-4-6-10(7-5-9)28(17,22)23/h4-7H,1-3H3,(H2,17,22,23)(H2,18,19,26)